SCHEMBL4548842

SCHEMBL4548842

COc1ccccc1NC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.85
CYP3A4 P08684 3/20 0.79
AURKA O14965 5/20 0.78
LCK P06239 5/20 0.78
MET P08581 5/20 0.78
TEK Q02763 5/20 0.78
AURKB Q96GD4 4/20 0.78
CYP2D6 P10635 2/20 0.77
CSF1R P07333 1/20 0.75
BRAF P15056 1/20 0.75
FLT1 P17948 1/20 0.75
FGFR2 P21802 1/20 0.75
FLT4 P35916 1/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29258986 0.92 KDR (0.78) KDRCYP3A4AURKALCKMET
SCHEMBL3747657 0.92 PDGFRA (0.85) KDRCYP3A4AURKALCKMET
SCHEMBL4548846 0.92 KDR (1.00) KDRCYP3A4AURKALCKMET
SCHEMBL2747247 0.90 KDR (1.00) KDRCYP3A4AURKALCKMET
SCHEMBL4548643 0.88 KDR (0.76) KDRCYP3A4AURKALCKMET
SCHEMBL2747260 0.88 KDR (0.87) KDRCYP3A4AURKALCKMET
SCHEMBL2748253 0.88 KDR (0.86) KDRCYP3A4AURKALCKMET
SCHEMBL4548850 0.88 KDR (1.00) KDRCYP3A4AURKALCKMET
SCHEMBL2748367 0.88 KDR (0.90) KDRCYP3A4AURKALCKMET
SCHEMBL4548689 0.88 KDR (0.82) KDRCYP3A4AURKALCKMET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885CYP3A4 348/4885AURKA 4148/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET KDR 354/4885CYP3A4 348/4885AURKA 4148/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.